ethanedioic acid; N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine

Systemtic Name: ethanedioic acid; N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine Openeye Name: oxalic acid; N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine CAS Name: oxalic acid; N-[(2,4,5-trimethoxyphenyl)methyl]-2-propanamine IUPAC Name: oxalic acid; N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine Traditional Name: isopropyl-(2,4,5-trimethoxybenzyl)amine; oxalic acid Formula: C15H23NO7 MolecularWeight: 329.34562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC1=CC(=C(C=C1OC)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)NCC1=CC(=C(C=C1OC)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H21NO3.C2H2O4/c1-9(2)14-8-10-6-12(16-4)13(17-5)7-11(10)15-3;3-1(4)2(5)6/h6-7,9,14H,8H2,1-5H3;(H,3,4)(H,5,6)